UCSF

ZINC35164948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 6.43 -32.3 1 3 1 30 246.787 2
Hi High (pH 8-9.5) 3.00 4.17 -2.96 0 3 0 29 245.779 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )